Information card for entry 4307753

Structure parameters

• Formula: C18 H39 F3 O3 P4 S
• Calculated formula: C18 H39 F3 O3 P4 S
• SMILES: [P+]1(P(P(P1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Monocyclic Di- and Triphosphinophosphonium Cations: New Foundational Frameworks for catena-Phosphorus Chemistry
• Authors of publication: C. Adam Dyker; Neil Burford; Gabriel Menard; Michael D. Lumsden; Andreas Decken
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4277 - 4285
• a: 17.498 ± 0.009 Å
• b: 13.694 ± 0.007 Å
• c: 11.349 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2719 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No